methyl acetate;piperazine

C7H16N2O2 — CID 158594372

IUPACmethyl acetate;piperazine
SMILESC1CNCCN1.COC(C)=O
InChIInChI=1S/C4H10N2.C3H6O2/c1-2-6-4-3-5-1;1-3(4)5-2/h5-6H,1-4H2;1-2H3
InChIKeyHUVMJQBFNXULMT-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.64
Rot. Bonds

About methyl acetate;piperazine

methyl acetate;piperazine (PubChem CID 158594372) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methyl acetate;piperazine.

Molecular Properties

Compound Namemethyl acetate;piperazine
PubChem CID158594372
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namemethyl acetate;piperazine
SMILESC1CNCCN1.COC(C)=O
InChIInChI=1S/C4H10N2.C3H6O2/c1-2-6-4-3-5-1;1-3(4)5-2/h5-6H,1-4H2;1-2H3
InChIKeyHUVMJQBFNXULMT-UHFFFAOYSA-N
XLogP-0.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl acetate;piperazine?
The IUPAC name of methyl acetate;piperazine (CID 158594372) is methyl acetate;piperazine.
What is the SMILES notation for methyl acetate;piperazine?
The canonical SMILES for methyl acetate;piperazine is C1CNCCN1.COC(C)=O.
What is the InChIKey of methyl acetate;piperazine?
The InChIKey is HUVMJQBFNXULMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H6O2/c1-2-6-4-3-5-1;1-3(4)5-2/h5-6H,1-4H2;1-2H3.
What are the key properties of methyl acetate;piperazine?
methyl acetate;piperazine has a molecular weight of 160.22 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;piperazine is sourced from PubChem (CID 158594372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).